(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one

C16H16O2 — CID 11776436

IUPAC(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one
SMILESC[C@@]12C[C@@H](c3ccccc3)[C@@]3(O)C=CC(=O)[C@@]13C2
InChIInChI=1S/C16H16O2/c1-14-9-12(11-5-3-2-4-6-11)16(18)8-7-13(17)15(14,16)10-14/h2-8,12,18H,9-10H2,1H3/t12-,14-,15-,16-/m0/s1
InChIKeyBUWZXSITAPATSW-TUUVXOQKSA-N
MW240.30 g/mol
LogP2.44
Rot. Bonds1

About (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one

(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one (PubChem CID 11776436) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one.

Molecular Properties

Compound Name(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one
PubChem CID11776436
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one
SMILESC[C@@]12C[C@@H](c3ccccc3)[C@@]3(O)C=CC(=O)[C@@]13C2
InChIInChI=1S/C16H16O2/c1-14-9-12(11-5-3-2-4-6-11)16(18)8-7-13(17)15(14,16)10-14/h2-8,12,18H,9-10H2,1H3/t12-,14-,15-,16-/m0/s1
InChIKeyBUWZXSITAPATSW-TUUVXOQKSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 10997780
(2S,3R,5R)-3-hydroxy-3-methyl-5-phenylthiolane-2-carboxylic acid
CID 11898208
(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol
CID 11992127
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483746
1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483891
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
(2S,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
CID 102142694
[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
CID 155932132

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one?
The IUPAC name of (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one (CID 11776436) is (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one.
What is the SMILES notation for (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one?
The canonical SMILES for (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one is C[C@@]12C[C@@H](c3ccccc3)[C@@]3(O)C=CC(=O)[C@@]13C2.
What is the InChIKey of (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one?
The InChIKey is BUWZXSITAPATSW-TUUVXOQKSA-N. The full InChI is InChI=1S/C16H16O2/c1-14-9-12(11-5-3-2-4-6-11)16(18)8-7-13(17)15(14,16)10-14/h2-8,12,18H,9-10H2,1H3/t12-,14-,15-,16-/m0/s1.
What are the key properties of (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one?
(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one has a molecular weight of 240.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one is sourced from PubChem (CID 11776436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).